Ru(dibenzotetramethyltetraaza[14]annulene(2-))(η2-ethen)(tetrahydrofuran) | 264608-63-1

• 英文名称: Ru(dibenzotetramethyltetraaza[14]annulene(2-))(η2-ethen)(tetrahydrofuran)
• CAS: 264608-63-1
• 化学式: C₂₈H₃₄N₄ORu
• 分子量: 543.674
• InChiKey: MRJCONOOUNEVJL-JYEULTKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  乙烯 、 [Ru2(dibenzotetramethyltetraaza[14]annulene(2-))2](Ru=Ru)* tetrahydrofuran * 0.5 toluene 以 四氢呋喃 为溶剂， 以72%的产率得到Ru(dibenzotetramethyltetraaza[14]annulene(2-))(η2-ethen)(tetrahydrofuran)
  参考文献：
  名称：

  The metal–metal bond in the dibenzotetramethyltetraaza[14]annulene–ruthenium dinuclear complex: a structural, magnetic, and theoretical analysis

  摘要：

  The thermal decomposition of [{Ru(tmtaa)}(2)(1,5-cyclooctadiene)] (1) in boiling toluene has led to the formation of the metal-metal bonded dinuclear complex [{Ru(tmtaa)}(2)] (2), (Ru-Ru, 2.3829(4) Angstrom). Upon oxidation using Cp2FeBPh4, the corresponding monocation [{Ru(tmtaa)}(2)]BPh4 (3) is synthesized with an Ru-Ru bond distance of 2.2782(4) Angstrom. The magnetic measurements of 2 and 3 are in agreement with a ground state s=1 and s=1/2, respectively. Calculations indicate an Ru-Ru sigma(2)pi(4)delta(2)delta(*2)pi(*2) electron configuration and suggest an Ru-Ru double bond character for 2, while the significant shortening by 0.105 Angstrom of the Ru-Ru distance in 3 is in agreement with a sigma(2)pi(4)delta(2)delta(*2)pi(*1) electron configuration and an Ru-Ru bond order of 2.5. Complex 2 serves as a source of the [Ru(tmtaa)] fragment in a variety of reactions, one of which is the reaction with ethylene in THF leading to the quite rare ethylene diamagnetic complex [Ru(tmtaa)(THF)(eta(2)-C2H4)] (4), (Ru ...(eta(2)-C2H4), 2.009(2); C-C, 1.384(5) Angstrom). (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00542-2